ChemSpider 2D Image | D:C-Friedours-7-ene, 3β-methoxy- | C31H52O

D:C-Friedours-7-ene, 3β-methoxy-

  • Molecular FormulaC31H52O
  • Average mass440.744 Da
  • Monoisotopic mass440.401825 Da
  • ChemSpider ID68027497

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,2R,4aR,6aS,8aR,10S,12aR,12bR,14aS,14bR)-10-Methoxy-1,2,4a,6a,9,9,12a,14a-octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen [German] [ACD/IUPAC Name]
(1S,2R,4aR,6aS,8aR,10S,12aR,12bR,14aS,14bR)-10-Methoxy-1,2,4a,6a,9,9,12a,14a-octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicene [ACD/IUPAC Name]
(1S,2R,4aR,6aS,8aR,10S,12aR,12bR,14aS,14bR)-10-Méthoxy-1,2,4a,6a,9,9,12a,14a-octaméthyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicène [French] [ACD/IUPAC Name]
14021-29-5 [RN]
D:C-Friedours-7-ene, 3β-methoxy-
Picene, 1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-eicosahydro-10-methoxy-1,2,4a,6a,9,9,12a,14a-octamethyl-, (1S,2R,4aR,6aS,8aR,10S,12aR,12bR,14aS,14bR)- [ACD/Index Name]
3β-Methoxybauer-7-ene
3β-Methoxybauer-7-ene

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 485.3±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 248.6±24.2 °C
Index of Refraction: 1.524
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 11.68
ACD/LogD (pH 5.5): 10.91
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.91
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 9 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 36.6±5.0 dyne/cm
Molar Volume: 446.5±5.0 cm3

Click to predict properties on the Chemicalize site


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